8-[2-(3,4-dimethoxyphenyl)ethynyl]-3-ethyl-1,7-bis(prop-2-ynyl)purine-2,6-dione

Systemtic Name: 8-[2-(3,4-dimethoxyphenyl)ethynyl]-3-ethyl-1,7-bis(prop-2-ynyl)purine-2,6-dione Openeye Name: 8-[2-(3,4-dimethoxyphenyl)ethynyl]-3-ethyl-1,7-bis(prop-2-ynyl)purine-2,6-dione CAS Name: 8-[2-(3,4-dimethoxyphenyl)ethynyl]-3-ethyl-1,7-bis(prop-2-ynyl)purine-2,6-dione IUPAC Name: 8-[2-(3,4-dimethoxyphenyl)ethynyl]-3-ethyl-1,7-bis(prop-2-ynyl)purine-2,6-dione Traditional Name: 8-[2-(3,4-dimethoxyphenyl)ethynyl]-3-ethyl-1,7-dipropargyl-xanthine Formula: C23H20N4O4 MolecularWeight: 416.4293

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C(=O)N(C1=O)CC#C)N(C(=N2)C#CC3=CC(=C(C=C3)OC)OC)CC#C

Isomeric SMILES

CCN1C2=C(C(=O)N(C1=O)CC#C)N(C(=N2)C#CC3=CC(=C(C=C3)OC)OC)CC#C

InChI

InChI=1S/C23H20N4O4/c1-6-13-26-19(12-10-16-9-11-17(30-4)18(15-16)31-5)24-21-20(26)22(28)27(14-7-2)23(29)25(21)8-3/h1-2,9,11,15H,8,13-14H2,3-5H3